Vitas-M small molecule compound
[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methyl-1,3-thiazol-5-yl)methanone
Catalog ID
STL176203
SMILES COc1ccc(cc1OC)/C=C/1\CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1scnc1C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H31N3O5S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5S/c1-17-28(38-16-30-17)29(33)32-27(20-10-12-23(35-3)25(15-20)37-5)21-8-6-7-19(26(21)31-32)13-18-9-11-22(34-2)24(14-18)36-4/h9-16,21,27H,6-8H2,1-5H3/b19-13+InChIKey
QESWEESSKUXCAJ-CPNJWEJPSA-NSynonyms
1164479-59-7((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4METHYL13THIAZOL5YL)METHANONE
((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4methyl13thiazol5yl)methanone
1164479597
CC1=C(SC=N1)C(=O)N2C(C3CCCC(=CC4=CC(=C(C=C4)OC)OC)C3=N2)C5=CC(=C(C=C5)OC)OC
COc1ccc(cc1OC)C=C1CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1scnc1C
InChI=1SC29H31N3O5Sc11728(38163017)29(33)3227(20101223(353)25(1520)375)2186719(26(21)3132)131891122(342)24(1418)364h9162127H68H215H3b1913+
MFCD03468173
ZINC000008455375
ZINC000017285756
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